Mecoprop methyl ester
TL;DR: Mecoprop methyl ester (CAS 115304-95-5) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Mecoprop methyl ester
methyl 2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: Mecoprop-methyl, Mecoprop methyl ester, MCPP methyl ester, MCPP ester, Mecoprop-methyl ester
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 115304-95-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC |
| InChIKey | YWGAULPFWIQKRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mecoprop methyl ester (CAS 115304-95-5), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: methyl 2-(4-chloro-2-methylphenoxy)propanoate.
Chemical Property Profile of Mecoprop methyl ester
Property Insights of Mecoprop methyl ester
The XLogP value of 3.5 indicates that Mecoprop methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Mecoprop methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mecoprop methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mecoprop methyl ester?
The CAS number of Mecoprop methyl ester is 115304-95-5.
What is the molecular formula of Mecoprop methyl ester?
The molecular formula of Mecoprop methyl ester is C11H13ClO3.
What is the molecular weight of Mecoprop methyl ester?
The molecular weight of Mecoprop methyl ester is 228.06 g/mol.
Where can I buy Mecoprop methyl ester?
You can request a quote for Mecoprop methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mecoprop methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mecoprop methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.